Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. Other › Research › Not peer-reviewed
  2. Electronic structure calculations of liquid crystal molecules: Application to chiral solutes

    Clark, S. J., Ackland, G. J. & Crain, J., 1997, p. 166-170. 5 p.

    Research output: Contribution to conferenceOther

  3. First principles calculations of defects in unstable crystals: Austenitic iron

    Ackland, G. J., Klaver, T. P. C. & Hepburn, D. J., 2011, p. 55-66. 12 p.

    Research output: Contribution to conferenceOther

  4. Martensitic transformations in 2D Lennard-Jones crystals

    Kastner, O. & Ackland, G. J., 2009, p. 399-403. 5 p.

    Research output: Contribution to conferenceOther

  5. Twinning deformation in martensite microstructure

    Ackland, G. J. & Pinsook, U., 2000, p. 417-422. 6 p.

    Research output: Contribution to conferenceOther

  6. Article › Research › Peer-reviewed
  7. Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials

    Drummond, N. D. & Ackland, G. J., 2002, In: Physical Review B: Condensed Matter and Materials Physics. 65, 14 p., 184104.

    Research output: Contribution to journalArticlepeer-review

  8. A THEORETICAL-STUDY OF PRESSURE EFFECTS ON SELENIUM-I

    CLARK, SJ., ACKLAND, GJ., AKBARZADEH, H. & Ackland, G., 1995, In: Journal of Physics and Chemistry of Solids. 56, 3-4, p. 329-334 6 p.

    Research output: Contribution to journalArticlepeer-review

  9. A dynamic mechanism for retrograde solid solubility

    Ackland, G., Jul 1991, In: Philosophical Magazine Letters. 64, 1, p. 15-19 5 p.

    Research output: Contribution to journalArticlepeer-review

  10. A first principles and mean field investigation of the conformational properties of 5CB

    Adam, CJ., Ferrarini, A., Wilson, MR., Ackland, GJ. & Crain, J., 20 Aug 1999, In: Molecular Physics. 97, 4, p. 541-550 10 p.

    Research output: Contribution to journalArticlepeer-review

  11. A theoretical study of selenium I under high pressure

    Akbarzadeh, H., Clark, S. J. & Ackland, G. J., 25 Oct 1993, In: Journal of Physics: Condensed Matter. 5, 43, p. 8065-8074 10 p.

    Research output: Contribution to journalArticlepeer-review

  12. AN IMPROVED N-BODY SEMIEMPIRICAL MODEL FOR BODY-CENTERED CUBIC TRANSITION-METALS

    ACKLAND, GJ., THETFORD, R. & Ackland, G., Jul 1987, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 56, 1, p. 15-30 16 p.

    Research output: Contribution to journalArticlepeer-review

  13. Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

    Malerba, L., Ackland, G., Becquart, C. S., Bonny, G., Domain, C., Dudarev, S. L., Fu, C. -C., Hepburn, D., Marinica, M. C., Olsson, P., Raulot, J. M., Pasianot, R. C., Soisson, F., Terentyev, D., Vincent, E. & Willaime, F., 1 Nov 2010, In: Journal of Nuclear Materials. 406, 1, p. 718 12 p.

    Research output: Contribution to journalArticlepeer-review

  14. Ab initio calculations of the self-interstitial in silicon

    Clark, S. J. & Ackland, G. J., 1 Jul 1997, In: Physical Review B: Condensed Matter and Materials Physics. 56, 1, 4 p., 47.

    Research output: Contribution to journalArticlepeer-review

  15. Ab initio elasticity and lattice dynamics of AgGaSe2

    Karki, B. B., Clark, S. J., Warren, M. C., Hsueh, H. C., Ackland, G. J. & Crain, J., 13 Jan 1997, In: Journal of Physics: Condensed Matter. 9, 2, p. 375-380 6 p.

    Research output: Contribution to journalArticlepeer-review

  16. Ab initio molecular dynamics of liquid carbon disulphide

    Ackland, G. J. & Clark, S. J., 2001, In: Molecular Physics. 99, 10, p. 855-863 9 p.

    Research output: Contribution to journalArticlepeer-review

  17. Ab initio molecular polarisabilities of liquid crystals: Application to DOBAMBC and 5CB

    Clark, S. J., Ackland, G. J. & Crain, J., 1998, In: Europhysics Letters. 44, 5, p. 578-584 7 p.

    Research output: Contribution to journalArticlepeer-review

  18. Ab initio simulations in liquid caesium at high pressure and temperature

    Falconi, S. & Ackland, G., May 2006, In: Physical Review B: Condensed Matter and Materials Physics. 73, 18, p. - 7 p., 184204.

    Research output: Contribution to journalArticlepeer-review

  19. Ab initio studies of high-pressure structural transformations in silica

    Karki, B. B., Warren, M. C., Stixrude, L., Ackland, G. J. & Crain, J., 1997, In: Physical Review B: Condensed Matter and Materials Physics. 55, 6, p. 3465-3471 7 p.

    Research output: Contribution to journalArticlepeer-review

  20. Ab initio studies of high-pressure structural transformations in silica (vol 55, pg 3465, 1997)

    Karki, BB., Warren, MC., Stixrude, L., Ackland, GJ. & Crain, J., 1 Aug 1997, In: Physical Review B: Condensed Matter and Materials Physics. 56, 5, p. 2884-2884 1 p.

    Research output: Contribution to journalArticlepeer-review

  21. Ab initio studies of structural instabilities in magnesium silicate perovskite

    Warren, M. C. & Ackland, G. J., Mar 1996, In: Physics and Chemistry of Minerals. 23, 2, p. 107-118 12 p.

    Research output: Contribution to journalArticlepeer-review

  22. Amorphous mediated commensurate-incommensurate phase transition in dense potassium

    Zhao, L., Zong, H., Ding, X. & Ackland, G., 14 Nov 2019, (Accepted/In press) In: Physical Review B.

    Research output: Contribution to journalArticlepeer-review

  23. An improved N-body semi-empirical model for body-centred cubic transition metals

    Ackland, G. & THETFORD, R., Feb 1987, In: Philosophical magazine. 56, p. 15-30

    Research output: Contribution to journalArticlepeer-review

  24. Applications of local crystal structure measures in experiment and simulation

    Jones, A. P. & Ackland, G., Feb 2006, In: Physical Review B: Condensed Matter and Materials Physics. 73, 5, p. - 7 p., 054104.

    Research output: Contribution to journalArticlepeer-review

  25. Appraisal of the realistic accuracy of molecular dynamics of high-pressure hydrogen

    Ackland, G. & Magdau, I. B., 18 Jun 2015, In: Cogent Physics. 2, 12 p., 1049477.

    Research output: Contribution to journalArticlepeer-review

  26. Atomic-Scale Modeling of the Dynamics of Titanium Oxidation

    Zhu, L., Hu, Q-M., Yang, R. & Ackland, G. J., 15 Nov 2012, In: Journal of Physical Chemistry C. 116, 45, p. 24201-24205 5 p.

    Research output: Contribution to journalArticlepeer-review

  27. Atomistic simulation of shear in a martensitic twinned microstructure

    Pinsook, U. & Ackland, G. J., 2000, In: Physical Review B: Condensed Matter and Materials Physics. 62, 9, p. 5427-5434 8 p.

    Research output: Contribution to journalArticlepeer-review

  28. Binding of an oxide layer to a metal: The Case of Ti(101̅0)/TiO2(100)

    Zhu, L., Hu, Q-M., Yang, R. & Ackland, G. J., 16 Feb 2012, In: Journal of Physical Chemistry C. 116, 6, p. 4224-4233 10 p.

    Research output: Contribution to journalArticlepeer-review

  29. Boom and bust in continuous time evolving economic model

    Ackland, G. & Mitchell, L., Aug 2009, In: European Physical Journal B. 70, 4, p. 567-573 7 p.

    Research output: Contribution to journalArticlepeer-review

  30. Boundaries between Ancient Cultures: Origins and persistence

    Cohen, M. H. & Ackland, G. J., Mar 2012, In: Advances in complex systems. 15, 1-2, 30 p., 1150004.

    Research output: Contribution to journalArticlepeer-review

  31. Calculated energies and relaxations of the low-index planes of ordered Cu3Au

    Wallace, W. E. & Ackland, G. J., 1992, In: Applied Surface Science. 275, 1-2, p. L685-L690

    Research output: Contribution to journalArticlepeer-review

  32. Calculation of anomalous phonons and the hcp-bcc phase transition in zirconium

    Pinsook, U. & Ackland, G. J., 1 Jun 1999, In: Physical Review B: Condensed Matter and Materials Physics. 59, 21, p. 13642-13649 8 p.

    Research output: Contribution to journalArticlepeer-review

  33. Calculation of free energies from ab initio calculation

    Ackland, GJ., 25 Mar 2002, In: Journal of Physics: Condensed Matter. 14, 11, p. 2975-3000 26 p., PII S0953-8984(02)27809-1.

    Research output: Contribution to journalArticlepeer-review

  34. Catastrophic desert formation in Daisyworld

    Clark, M. A., Lenton, T. M. & Ackland, G., 7 Jul 2003, In: Journal of Theoretical Biology. 223, 1, p. 39-44 6 p.

    Research output: Contribution to journalArticlepeer-review

  35. Charge density wave in hydrogen at high pressure

    Magdau, I. B. & Ackland, G. J., 7 Nov 2017, In: Journal of Physics: Conference Series. 950, 042058.

    Research output: Contribution to journalArticlepeer-review

  36. Comparison of bonding in amorphous silicon and carbon

    Clark, S. J., Crain, J. & Ackland, G. J., 1 Jun 1997, In: Physical Review B: Condensed Matter and Materials Physics. 55, 21, p. 14059-14062 4 p.

    Research output: Contribution to journalArticlepeer-review

  37. Compression mechanisms in quasimolecular XI3 (X = As, Sb, Bi) solids

    Hsueh, H. C., Chen, R. K., Vass, H., Clark, S. J., Ackland, G., Poon, W. & Crain, J., 1 Dec 1998, In: Physical Review B: Condensed Matter and Materials Physics. 58, 22, p. 14812-14822 11 p.

    Research output: Contribution to journalArticlepeer-review

  38. Computational analysis of the high-pressure structures of InSb

    Kelsey, A. A. & Ackland, G. J., 2000, In: Journal of Physics: Condensed Matter. 12, 32, p. 7161-7173 13 p.

    Research output: Contribution to journalArticlepeer-review

  39. Computer simulation of point defect properties in dilute Fe-Cu alloy using a many-body interatomic potential

    Ackland, G. J., Bacon, D. J., Calder, A. F. & Harry, T., Mar 1997, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 75, 3, p. 713-732 20 p.

    Research output: Contribution to journalArticlepeer-review

  40. Conformation energy surface for liquid crystal molecules from first principles: Application to 5CB

    Clark, SJ., Adam, CJ., Ackland, GJ. & Crain, J., 1997, In: Molecular Crystals and Liquid Crystals Science and Technology - Section A: Molecular Crystals and Liquid Crystals. 299, p. 39-44 6 p.

    Research output: Contribution to journalArticlepeer-review

  41. Conformation-dependent dipoles of liquid crystal molecules and fragments from first principles

    Adam, C. J., Clark, S. J., Ackland, G. J. & Crain, J., 1997, In: Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics. 55, 5 A, p. 5641-5649 9 p.

    Research output: Contribution to journalArticlepeer-review

  42. Constrained dynamics and extraction of normal modes from ab initio molecular dynamics: Application to ammonia

    Siddick, M. M., Ackland, G. & Morrison, C. A., 14 Aug 2006, In: The Journal of Chemical Physics. 125, 6, 19 p., 064707.

    Research output: Contribution to journalArticlepeer-review

  43. Counterintuitive effects of isotopic doping on the phase diagram of H2-HD-D2 molecular alloy

    Liu, X-D., Dalladay-Simpson, P., Howie, R. T., Zhang, H. C., Xu, W., Binns, J., Ackland, G. J., Mao, H-K. & Gregoryanz, E., 16 Jun 2020, In: Proceedings of the National Academy of Sciences (PNAS). p. 13374-13378 5 p.

    Research output: Contribution to journalArticlepeer-review

  44. Crystal Structures of Dense Lithium: A Metal-Semiconductor-Metal Transition

    Marques, M., McMahon, M., Gregoryanz, E., Hanfland, M., Guillaume, C. L., Pickard, C. J., Ackland, G. & Nelmes, R., 1 Mar 2011, In: Physical Review Letters. 106, 9, p. - 4 p., 095502.

    Research output: Contribution to journalArticlepeer-review

  45. Cultural hitchhiking on the wave of advance of beneficial technologies

    Ackland, G. J., Signitzer, M., Stratford, K. & Cohen, M. H., 22 May 2007, In: Proceedings of the National Academy of Sciences (PNAS). 104, 21, p. 8714-8719 6 p.

    Research output: Contribution to journalArticlepeer-review

  46. DEFECT, SURFACE AND DISPLACEMENT-THRESHOLD PROPERTIES OF ALPHA-ZIRCONIUM SIMULATED WITH A MANY-BODY POTENTIAL

    ACKLAND, GJ., WOODING, SJ., BACON, DJ. & Ackland, G., Mar 1995, In: Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 71, 3, p. 553-565 13 p.

    Research output: Contribution to journalArticlepeer-review

  47. Defect and solute properties in dilute Fe-Cr-Ni austenitic alloys from first principles

    Klaver, T. P. C., Hepburn, D. J. & Ackland, G. J., 24 May 2012, In: Physical Review B: Condensed Matter and Materials Physics. 85, 17, 23 p., 174111.

    Research output: Contribution to journalArticlepeer-review

  48. Dense tetrahedral structures of compound semiconductor

    CRAIN, J., Piltz, RO., Hatton, PD., Clark, SJ. & Ackland, G., 1995, In: Journal of Physics and Chemistry of Solids. 56, 3-4, p. 495-500 6 p.

    Research output: Contribution to journalArticlepeer-review

  49. Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning

    Zong, H., Pilania, G., Ding, X., Ackland, G. J. & Lookman, T., 24 Aug 2018, In: npj Computational Materials. 4, 1, 48.

    Research output: Contribution to journalArticlepeer-review

  50. Development of an interatomic potential for phosphorus impurities in alpha-iron

    Mendelev, M. I., Srolovitz, D. J., Han, S., Barashev, A. V. & Ackland, G., 14 Jul 2004, In: Journal of Physics: Condensed Matter. 16, 27, p. S2629-S2642 14 p.

    Research output: Contribution to journalArticlepeer-review

  51. Development of an interatomic potential for phosphorus impurities in α-iron

    Ackland, G. J., Mendelev, M. I., Srolovitz, D. J., Han, S. & Barashev, A. V., 2004, In: Journal of Physics: Condensed Matter. 16, 27, p. S2629-S2642

    Research output: Contribution to journalArticlepeer-review

  52. Development of an interatomic potential for the simulation of Defects, Plasticity and Phase Transformations in Titanium

    Mendelev, M. I., Underwood, T. & Ackland, G., 17 Oct 2016, In: The Journal of Chemical Physics. 145, 15, 11 p., 154102.

    Research output: Contribution to journalArticlepeer-review

  53. Development of an interatomic potential for the simulation of phase transformations in zirconium

    Mendelev, M. I. & Ackland, G., 2007, In: Philosophical Magazine Letters. 87, 5, p. 349-359 11 p.

    Research output: Contribution to journalArticlepeer-review

  54. Development of new interatomic potentials appropriate for crystalline and liquid iron

    Mendelev, M. I., Han, S., Srolovitz, D. J., Ackland, G., Sun, D. Y. & Asta, M., 11 Dec 2003, In: Philosophical magazine. 83, 35, p. 3977-3994 18 p.

    Research output: Contribution to journalArticlepeer-review

  55. Devil's staircase in kinetically limited growth

    Ackland, GJ., Oct 2002, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 66, 4, 4 p., 041605.

    Research output: Contribution to journalArticlepeer-review

  56. Dynamic overshoot in alpha-iron by atomistic simulations

    Machova, A. & Ackland, GJ., Sep 1998, In: Modelling and simulation in materials science and engineering. 6, 5, p. 521-542 22 p.

    Research output: Contribution to journalArticlepeer-review

  57. Dynamic overshoot in α-iron by atomistic simulations

    Machová, A. & Ackland, G. J., 1998, In: Modelling and simulation in materials science and engineering. 6, 5, p. 521-542 22 p.

    Research output: Contribution to journalArticlepeer-review

  58. Dynamics of bond-diluted Ising magnets

    Hawick, K. A., Poon, WC-K. & Ackland, G. J., Feb 1992, In: Journal of Magnetism and Magnetic Materials. 104-107, PART 1, p. 423-424 2 p.

    Research output: Contribution to journalArticlepeer-review

  59. Effect of Fe segregation on the migration of a non-symmetric Sigma 5 tilt grain boundary in Al

    Mendelev, M. I., Srolovitz, D. J., Ackland, G. & Han, S., Jan 2005, In: Journal of Biomedical Materials Research Part A. 20, 1, p. 208-218 11 p.

    Research output: Contribution to journalArticlepeer-review

  60. Effects of local interaction and dispersal on the dynamics of size-structured populations

    Adams, T., Ackland, G., Marion, G. & Edwards, C., 24 Apr 2011, In: Ecological Modelling. 222, 8, p. 1414-1422 9 p.

    Research output: Contribution to journalArticlepeer-review

  61. Efficacious calculation of Raman spectra in high pressure hydrogen

    Ackland, G. J. & Magdau, I. B., Jun 2014, In: High Pressure Research. 34, 2, p. 198-204 7 p.

    Research output: Contribution to journalArticlepeer-review

  62. Elastic instabilities in crystals from ab initio stress-strain relations

    Karki, B. B., Ackland, G. J. & Crain, J., 1997, In: Journal of Physics: Condensed Matter. 9, 41, p. 8579-8589 11 p.

    Research output: Contribution to journalArticlepeer-review

  63. Elastic properties of orthorhombic MgSiO3 perovskite at lower mantle pressures

    Karki, BB., Stixrude, L., Clark, SJ., Warren, MC., Ackland, GJ. & Crain, J., 1997, In: American Mineralogist. 82, 5-6, p. 635-638 4 p.

    Research output: Contribution to journalArticlepeer-review

  64. Embrittlement and the bistable crystal structure of zirconium hydride

    Ackland, GJ., 9 Mar 1998, In: Physical Review Letters. 80, 10, p. 2233-2236 4 p.

    Research output: Contribution to journalArticlepeer-review

  65. Embrittlement and the bistable crystal structure of zirconium hydride - Ackland replies

    Ackland, GJ., 12 Oct 1998, In: Physical Review Letters. 81, 15, p. 3301-3301 1 p.

    Research output: Contribution to journalArticlepeer-review

  66. Emergent patterns in space and time from daisyworld: a simple evolving coupled biosphere-climate model

    Ackland, G. J. & Wood, A. J., 13 Jan 2010, In: Philosophical Transactions A: Mathematical, Physical and Engineering Sciences. 368, 1910, p. 161-179 19 p.

    Research output: Contribution to journalArticlepeer-review

  67. Equation of state of solid nickel aluminide

    Swift, D. C., Paisley, D. L., McClellan, K. J. & Ackland, G. J., Oct 2007, In: Physical Review B: Condensed Matter and Materials Physics. 76, 13, p. - 15 p., 134111.

    Research output: Contribution to journalArticlepeer-review

  68. Equipartition and ergodicity in closed one-dimensional systems of hard spheres with different masses

    Ackland, G. J., 1993, In: Physical Review E. 47, 5, p. 3268-3275 8 p.

    Research output: Contribution to journalArticlepeer-review

  69. Erratum: Tetrahedral structures and phase transitions in III-V semiconductors (Phys. Rev. B (1994) 50, (8389))

    Crain, J., Piltz, R. O., Ackland, G. J., Clark, S. J., Payne, M. C., Milman, V., Lin, J. S., Hatton, P. D. & Nam, Y. H., 1995, In: Physical Review B. 52, 23, p. 16936 1 p.

    Research output: Contribution to journalArticlepeer-review

  70. Europium-IV: An Incommensurately Modulated Crystal Structure in the Lanthanides

    Husband, R., Loa, I., Stinton, G., Evans, S., Ackland, G. & Mcmahon, M., 31 Aug 2012, In: Physical Review Letters. 109, 9, 5 p., 095503.

    Research output: Contribution to journalArticlepeer-review

  71. Evolving the selfish herd: emergence of distinct aggregating strategies in an individual-based model

    Wood, A. J. & Ackland, G. J., 7 Jul 2007, In: Proceedings of the Royal Society B-Biological Sciences. 274, 1618, p. 1637-1642 6 p.

    Research output: Contribution to journalArticlepeer-review

  72. Experimental and theoretical study of Ti-6Al-4V to 220 GPa

    MacLeod, S. G., Tegner, B. E., Cynn, H., Evans, W. J., Proctor, J. E., McMahon, M. I. & Ackland, G. J., 7 Jun 2012, In: Physical Review B: Condensed Matter and Materials Physics. 85, 22, 7 p., 224202.

    Research output: Contribution to journalArticlepeer-review

  73. First-principles equations of state for simulations of shock waves in silicon

    Swift, D. C., Ackland, G. J., Hauer, A. & Kyrala, G. A., 2001, In: Physical Review B: Condensed Matter and Materials Physics. 64, 21, p. 2141071-21410714 19269644 p.

    Research output: Contribution to journalArticlepeer-review

  74. First-principles study of helium, carbon, and nitrogen in austenite, dilute austenitic iron alloys, and nickel

    Hepburn, D. J., Ferguson, D., Gardner, S. & Ackland, G. J., 22 Jul 2013, In: Physical Review B: Condensed Matter and Materials Physics. 88, 2, 26 p., 024115.

    Research output: Contribution to journalArticlepeer-review

  75. First-principles study of the structural energetics of PdTi and PtTi

    Huang, X. Y., Rabe, K. M. & Ackland, G. J., 1 Jan 2003, In: Physical Review B: Condensed Matter and Materials Physics. 67, 2, p. - 8 p., 024101.

    Research output: Contribution to journalArticlepeer-review

  76. First-principles thermodynamics of transition metals: W, NiAl, and PdTi

    Huang, X. Y., Rabe, K. M. & Ackland, G., Dec 2003, In: Physical Review B: Condensed Matter and Materials Physics. 68, 21, p. - 7 p., 214104.

    Research output: Contribution to journalArticlepeer-review

  77. Formation of H2-rich iodine-hydrogen compounds at high pressure

    Binns, J., Dalladay-Simpson, P., Wang, M., Ackland, G., Gregoryanz, E. & Howie, R. T., 24 Jan 2018, In: Physical Review B: Condensed Matter and Materials Physics. 97, 2, 6 p., 024111.

    Research output: Contribution to journalArticlepeer-review

  78. Free energy of crystalline solids: A lattice-switch Monte Carlo method

    Bruce, A. D., Wilding, N. B. & Ackland, G. J., 20 Oct 1997, In: Physical Review Letters. 79, 16, p. 3002-3005 4 p.

    Research output: Contribution to journalArticlepeer-review

  79. High pressure instrumentation: Low and negative pressures

    Dunstan, DJ., Van Uden, NWA. & Ackland, GJ., Jun 2002, In: High Pressure Research. 22, 3-4, p. 773-778 6 p.

    Research output: Contribution to journalArticlepeer-review

  80. High temperature oxidation resistance in titanium-niobium alloys

    Tegner, B. E., Zhu, L., Siemers, C., Saksl, K. & Ackland, G. J., 15 Sep 2015, In: Journal of alloys and compounds. 643, p. 100-105 6 p.

    Research output: Contribution to journalArticlepeer-review

  81. High-pressure effects in the layered semiconductor germanium selenide

    Hsueh, HC., Vass, H., Clark, SJ., CRAIN, J. & Ackland, G., 15 Jun 1995, In: Physical Review B: Condensed Matter and Materials Physics. 51, 23, p. 16750-16760 11 p.

    Research output: Contribution to journalArticlepeer-review

  82. High-pressure phases of group IV and III-V semiconductors

    Ackland, G. J., 2001, In: Reports on Progress in Physics. 64, 4, p. 483-516 34 p.

    Research output: Contribution to journalArticlepeer-review

  83. High-pressure semiconductor-semimetal transition in TiS2

    Allan, D. R., Kelsey, A. A., Clark, S. J., Angel, R. J. & Ackland, G. J., 1 Mar 1998, In: Physical Review B: Condensed Matter and Materials Physics. 57, 9, p. 5106-5110 5 p.

    Research output: Contribution to journalArticlepeer-review

  84. High-pressure simulations of atom-vacancy solid solution

    Fuks, D., Dorfman, S. & Ackland, G., 1997, In: Defect and Diffusion Forum. 143, p. 161-164 4 p.

    Research output: Contribution to journalArticlepeer-review

  85. How Efficiently Do Three Pointlike Particles Sample Phase Space?

    Cox, S. G. & Ackland, G. J., 2000, In: Physical Review Letters. 84, 11, p. 2362-2365 4 p.

    Research output: Contribution to journalArticlepeer-review

  86. Hydrogenation induced carrier mobility polarity reversal in single layer AlN

    Ackland, G. & Zong, H., 27 Sep 2017, In: Physica Status Solidi (RRL).

    Research output: Contribution to journalArticlepeer-review

  87. Icosahedral (H2)13 supermolecule

    Ackland, G. & Martinez-Canales, M., 4 Sep 2018, In: Physical Review Materials. 2, 9

    Research output: Contribution to journalArticlepeer-review

  88. Identification of high-pressure phases III and IV in hydrogen: Simulating Raman spectra using molecular dynamics

    Magdau, I. B. & Ackland, G. J., 23 May 2013, In: Physical Review B: Condensed Matter and Materials Physics. 87, 17, 8 p., 174110.

    Research output: Contribution to journalArticlepeer-review

  89. Income and poverty in a developing economy

    Chattopadhyay, A. K., Ackland, G. & Mallick, S. K., Sep 2010, In: Europhysics Letters. 91, 5, p. - 6 p., 58003.

    Research output: Contribution to journalArticlepeer-review

  90. Influence of transition group elements on the stability of the delta- and eta-phase in nickelbase alloys

    Baeker, M., Roesler, J., Hentrich, T. & Ackland, G., 7 Dec 2017, In: Modelling and simulation in materials science and engineering. 26, 1, 15 p., 015005.

    Research output: Contribution to journalArticlepeer-review

  91. Infrared Peak Splitting from Phonon Localization in Solid Hydrogen

    Magdău, I. B. & Ackland, G. J., 7 Apr 2017, In: Physical Review Letters. 118, 14, 145701.

    Research output: Contribution to journalArticlepeer-review

  92. Interaction between metallic p orbitals and the π orbitals of organic molecules: The binding between ethylene and aluminum

    King, E. M., Clark, S. J., Verdozzi, C. F. & Ackland, G. J., 2001, In: Journal of Physical Chemistry B. 105, 3, p. 641-645 5 p.

    Research output: Contribution to journalArticlepeer-review

  93. Interatomic forces and atomic structure of grain boundaries in copper-bismuth alloys

    Yan, M., Ob, M., Luzzi, D. E., Vitek, V., Ackland, G. J., Methfessel, M. & Rodriguez, C. O., 1993, In: Physical Review B. 47, 10, p. 5571-5582 12 p.

    Research output: Contribution to journalArticlepeer-review

  94. Interatomic potential for vanadium suitable for radiation damage simulations

    Han, S. W., Zepeda-Ruiz, L. A., Ackland, G., Car, R. & Srolovitz, D. J., 15 Mar 2003, In: Journal of applied physics. 93, 6, p. 3328-3335 8 p.

    Research output: Contribution to journalArticlepeer-review

  95. Interpretation of cluster structures in terms of covalent bonding

    Ackland, G., 15 Aug 1991, In: Physical Review B: Condensed Matter and Materials Physics. 44, 8, p. 3900-3908 9 p.

    Research output: Contribution to journalArticlepeer-review

  96. Lattice Dynamics of Dense Lithium

    Gorelli, F. A., Elatresh, S. F., Guillaume, C. L., Marques, M., Ackland, G. J., Santoro, M., Bonev, S. A. & Gregoryanz, E., 30 Jan 2012, In: Physical Review Letters. 108, 5, 5 p., 055501.

    Research output: Contribution to journalArticlepeer-review

  97. Lattice-switch Monte Carlo method

    Bruce, A. D., Jackson, A. N., Ackland, G. J. & Wilding, N. B., Jan 2000, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 61, 1, p. 906-919 14 p.

    Research output: Contribution to journalArticlepeer-review

  98. Lattice-switch Monte Carlo method: Application to soft potentials

    Jackson, AN., Bruce, AD. & Ackland, GJ., Mar 2002, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 65, 3, 12 p., 036710.

    Research output: Contribution to journalArticlepeer-review

  99. Lattice-switch Monte Carlo method: Application to soft potentials

    Jackson, A. N., Bruce, A. D. & Ackland, G. J., 2002, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 65, 3, p. 036710/1-036710/12

    Research output: Contribution to journalArticlepeer-review

  100. Lattice-switch Monte Carlo simulation for binary hard-sphere crystals

    Jackson, A. N. & Ackland, G., Dec 2007, In: Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 76, 6, p. - 10 p., 066703.

    Research output: Contribution to journalArticlepeer-review

  101. Lattice-switch Monte Carlo: the fcc-bcc problem

    Underwood, T. L. & Ackland, G. J., 3 Dec 2015, In: Journal of Physics: Conference Series. 640, 1, 012030.

    Research output: Contribution to journalArticlepeer-review

  102. Local size segregation in polydisperse hard sphere fluids

    Pagonabarraga, I., Cates, M. E. & Ackland, G. J., 31 Jan 2000, In: Physical Review Letters. 84, 5, p. 911-914 4 p.

    Research output: Contribution to journalArticlepeer-review

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